SCHEMBL4351109

SCHEMBL4351109

Oc1c(F)cccc1NCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.51
GNA15 P30679 1/20 0.49
PTGER3 P43115 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HDAC8 Q9BY41 1/20 0.48
GRM2 Q14416 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4353549 0.90 ALDH1A1 (0.54) FFAR1TDP1HDAC8GRM2KDM4E
SCHEMBL4345590 0.90 MEN1 (0.44) FFAR1GNA15PTGER3FFAR4TDP1
SCHEMBL4345422 0.87 FFAR1 (0.49) FFAR1GNA15PTGER3FFAR4TDP1
SCHEMBL4346825 0.87 MEN1 (0.62) FFAR1TDP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4351710 0.87 FAAH (0.42) FFAR1GNA15PTGER3FFAR4TDP1
SCHEMBL16856424 0.84 HSD17B10 (0.50) HDAC8KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL4343771 0.84 FFAR1 (0.51) FFAR1GNA15PTGER3FFAR4TDP1
SCHEMBL4358595 0.82 FFAR1 (0.59) FFAR1GNA15PTGER3FFAR4TDP1
SCHEMBL4344413 0.79 MEN1 (0.44) FFAR1GNA15PTGER3FFAR4TDP1
SCHEMBL4356057 0.78 ALDH1A1 (0.52) FFAR1HDAC8KDM4EALDH1A1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF JERINI AG (DE) 2011-03-17 US claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP claimed
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors JERINI AG (DE) 2007-03-08 US claimed
CN-1701061-A Novel compounds for inhibiting rotamase enzymes and uses thereof JERINI AG (DE) 2005-11-23 CN claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF NR1I3, NR1D1, NR1D2 FFAR1 736/4885GNA15 4070/4885PTGER3 761/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 FFAR1 780/4885GNA15 4377/4885PTGER3 707/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.